Information card for entry 7233146

Structure parameters

• Common name: 2,7-Bis-(3,5-di-trifluromethylbenzo-1-yl) -benzo[1,2-b:6,5-b']dithiophene-4,5-dione
• Chemical name: 2,7-Bis-(3,5-di-trifluromethylbenzo-1-yl) -benzo[1,2-b:6,5-b']dithiophene-4,5-dione
• Formula: C28 H8 F12 O4 S2
• Calculated formula: C28 H8 F12 O4 S2
• Title of publication: Benzo[1,2-b:6,5-b']dithiophene(dithiazole)-4,5-dione derivatives: synthesis, electronic properties, crystal packing and charge transport
• Authors of publication: Yulia A. Getmanenko; Marina Fonari; Chad Risko; Bhupinder Sandhu; Elena Galan; Lingyun Zhu; Paul Tongwa; Do Kyung Hwang; Sanjeev Singh; He Wang; Shree Prakash Tiwari; Yueh-Lin Loo; Jean-Luc Bredas; Bernard Kippelen; Tatiana Timofeeva; Seth R. Marder
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 1467 - 1481
• a: 11.659 ± 0.007 Å
• b: 16.482 ± 0.009 Å
• c: 22.503 ± 0.013 Å
• α: 75.532 ± 0.011°
• β: 89.384 ± 0.013°
• γ: 87.65 ± 0.011°
• Cell volume: 4184 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1776
• Residual factor for significantly intense reflections: 0.0974
• Weighted residual factors for significantly intense reflections: 0.2338
• Weighted residual factors for all reflections included in the refinement: 0.3094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No